SCHEMBL8939347

SCHEMBL8939347

N#CCCCCOc1ccc(-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.55
HDAC1 Q13547 6/20 0.54
HDAC2 Q92769 6/20 0.54
HDAC3 O15379 5/20 0.54
HDAC4 P56524 5/20 0.54
HDAC7 Q8WUI4 5/20 0.54
HDAC10 Q969S8 5/20 0.54
HDAC11 Q96DB2 5/20 0.54
HDAC8 Q9BY41 5/20 0.54
HDAC6 Q9UBN7 5/20 0.54
HDAC9 Q9UKV0 5/20 0.54
HDAC5 Q9UQL6 5/20 0.54
LSS P48449 1/20 0.53
KCNA3 P22001 1/20 0.52
HRH3 Q9Y5N1 6/20 0.50
BACE1 P56817 1/20 0.50
KCNH2 Q12809 1/20 0.49
HRH4 Q9H3N8 1/20 0.49
HRH1 P35367 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28658748 0.98 LTB4R (0.57) LTB4RHDAC1HDAC2HDAC3HDAC4
SCHEMBL1580334 0.98 LTB4R (0.57) LTB4RHDAC1HDAC2HDAC3HDAC4
SCHEMBL29359699 0.95 LSS (0.54) LTB4RHDAC1HDAC2HDAC3HDAC4
SCHEMBL11799195 0.89 KCNA3 (0.67) LTB4RHDAC1HDAC2HDAC3HDAC4
SCHEMBL11796191 0.87 KCNA3 (0.64) LTB4RHDAC1HDAC2HDAC3HDAC4
SCHEMBL3144575 0.87 KCNA3 (0.64) LTB4RHDAC1HDAC2HDAC3HDAC4
SCHEMBL11799127 0.87 KCNA3 (0.64) LTB4RHDAC1HDAC2HDAC3HDAC4
SCHEMBL7501215 0.83 KCNA3 (0.62) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7364135 0.82 HDAC1 (0.54) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7398020 0.81 MAOB (0.60) HDAC6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5498363-A Electrorheological fluid AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1996-03-12 US disclosed